4,5-Dichloro-2-fluoroaniline
TL;DR: 4,5-Dichloro-2-fluoroaniline (CAS 2729-36-4) is a chemical compound with molecular formula C6H4Cl2FN and molecular weight 178.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichloro-2-fluoroaniline
Also Known As: 4,5-dichloro-2-fluoroaniline, 3,4-dichloro-6-fluoroaniline, 4,5-Dichloro-2-fluoro-aniline, 4,5-Dichloro-2-fluorobenzenamine, 4,5-Dichloro-2-fluorophenylamine
| Molecular Formula | C6H4Cl2FN |
|---|---|
| Molecular Weight | 178.97 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.97049 |
| Heavy Atoms | 10 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 2729-36-4 |
|---|---|
| SMILES | C1=C(C(=CC(=C1Cl)Cl)F)N |
| InChIKey | FHJVHVKVTUTGTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dichloro-2-fluoroaniline (CAS 2729-36-4), with molecular formula C6H4Cl2FN and molecular weight 178.97 g/mol. IUPAC: 4,5-dichloro-2-fluoroaniline.
Chemical Property Profile of 4,5-Dichloro-2-fluoroaniline
Property Insights of 4,5-Dichloro-2-fluoroaniline
The XLogP value of 3.2 indicates that 4,5-Dichloro-2-fluoroaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.0 Ų, 4,5-Dichloro-2-fluoroaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,5-Dichloro-2-fluoroaniline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,5-Dichloro-2-fluoroaniline?
The CAS number of 4,5-Dichloro-2-fluoroaniline is 2729-36-4.
What is the molecular formula of 4,5-Dichloro-2-fluoroaniline?
The molecular formula of 4,5-Dichloro-2-fluoroaniline is C6H4Cl2FN.
What is the molecular weight of 4,5-Dichloro-2-fluoroaniline?
The molecular weight of 4,5-Dichloro-2-fluoroaniline is 178.97 g/mol.
Where can I buy 4,5-Dichloro-2-fluoroaniline?
You can request a quote for 4,5-Dichloro-2-fluoroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dichloro-2-fluoroaniline?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dichloro-2-fluoroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.